[1-[(4-morpholin-4-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(2,4-dimethylphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [1-[(4-morpholin-4-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(2,4-dimethylphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [1-methyl-2-(4-morpholinoanilino)-2-oxo-ethyl] 3-(2,4-dimethylphenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(2,4-dimethylphenyl)-1-phenyl-4-pyrazolecarboxylic acid [1-[4-(4-morpholinyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 3-(2,4-dimethylphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(2,4-dimethylphenyl)-1-phenyl-pyrazole-4-carboxylic acid [2-keto-1-methyl-2-(4-morpholinoanilino)ethyl] ester Formula: C31H32N4O4 MolecularWeight: 524.61018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NN(C=C2C(=O)OC(C)C(=O)NC3=CC=C(C=C3)N4CCOCC4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NN(C=C2C(=O)OC(C)C(=O)NC3=CC=C(C=C3)N4CCOCC4)C5=CC=CC=C5)C

InChI

InChI=1S/C31H32N4O4/c1-21-9-14-27(22(2)19-21)29-28(20-35(33-29)26-7-5-4-6-8-26)31(37)39-23(3)30(36)32-24-10-12-25(13-11-24)34-15-17-38-18-16-34/h4-14,19-20,23H,15-18H2,1-3H3,(H,32,36)